1-[2-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one

C14H21N3O2S — CID 47073514

IUPAC1-[2-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one
SMILESCc1ccc(CN(CC(=O)N2CCNC2=O)C(C)C)s1
InChIInChI=1S/C14H21N3O2S/c1-10(2)16(8-12-5-4-11(3)20-12)9-13(18)17-7-6-15-14(17)19/h4-5,10H,6-9H2,1-3H3,(H,15,19)
InChIKeyNQXUCAFHRHDYIP-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.82
Rot. Bonds5

About 1-[2-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one

1-[2-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one (PubChem CID 47073514) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-[2-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one
PubChem CID47073514
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name1-[2-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one
SMILESCc1ccc(CN(CC(=O)N2CCNC2=O)C(C)C)s1
InChIInChI=1S/C14H21N3O2S/c1-10(2)16(8-12-5-4-11(3)20-12)9-13(18)17-7-6-15-14(17)19/h4-5,10H,6-9H2,1-3H3,(H,15,19)
InChIKeyNQXUCAFHRHDYIP-UHFFFAOYSA-N
XLogP1.82
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one (CID 47073514) is 1-[2-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one is Cc1ccc(CN(CC(=O)N2CCNC2=O)C(C)C)s1.
What is the InChIKey of 1-[2-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one?
The InChIKey is NQXUCAFHRHDYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-10(2)16(8-12-5-4-11(3)20-12)9-13(18)17-7-6-15-14(17)19/h4-5,10H,6-9H2,1-3H3,(H,15,19).
What are the key properties of 1-[2-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one?
1-[2-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one has a molecular weight of 295.41 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one is sourced from PubChem (CID 47073514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).